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	hartrees
Energy at 0K	-234.379101
Energy at 298.15K
HF Energy	-234.379101
Nuclear repulsion energy	244.629117

Atom	x (Å)	y (Å)	z (Å)
C1	-0.179	1.440	0.000
C2	-0.921	-1.293	0.000
C3	0.289	0.631	1.224
C4	0.289	0.631	-1.224
C5	0.289	-0.811	0.754
C6	0.289	-0.811	-0.754
H7	-1.106	-2.370	0.000
H8	-1.832	-0.686	0.000
H9	-1.277	1.528	0.000
H10	0.220	2.465	0.000
H11	-0.354	0.800	2.103
H12	-0.354	0.800	-2.103
H13	1.316	0.916	-1.507
H14	1.316	0.916	1.507
H15	0.873	-1.543	1.316
H16	0.873	-1.543	-1.316

	C1	C2	C3	C4	C5	C6	H7	H8	H9	H10	H11	H12	H13	H14	H15	H16
C1		2.8315	1.5395	1.5395	2.4191	2.4191	3.9203	2.6926	1.1014	1.1001	2.2052	2.2052	2.1862	2.1862	3.4258	3.4258
C2	2.8315		2.5811	2.5811	1.5045	1.5045	1.0924	1.0943	2.8440	3.9271	3.0210	3.0210	3.4864	3.4864	2.2393	2.2393
C3	1.5395	2.5811		2.4473	1.5166	2.4474	3.5279	2.7799	2.1804	2.2055	1.1022	3.3925	2.9312	1.1032	2.2532	3.3940
C4	1.5395	2.5811	2.4473		2.4474	1.5166	3.5279	2.7799	2.1804	2.2055	3.3925	1.1022	1.1032	2.9312	3.3940	2.2532
C5	2.4191	1.5045	1.5166	2.4474		1.5076	2.2231	2.2536	2.9142	3.3619	2.1975	3.3423	3.0247	2.1461	1.0928	2.2722
C6	2.4191	1.5045	2.4474	1.5166	1.5076		2.2231	2.2536	2.9142	3.3619	3.3423	2.1975	2.1461	3.0247	2.2722	1.0928
H7	3.9203	1.0924	3.5279	3.5279	2.2231	2.2231		1.8330	3.9019	5.0129	3.8777	3.8777	4.3512	4.3512	2.5167	2.5167
H8	2.6926	1.0943	2.7799	2.7799	2.2536	2.2536	1.8330		2.2832	3.7601	2.9694	2.9694	3.8400	3.8400	3.1278	3.1278
H9	1.1014	2.8440	2.1804	2.1804	2.9142	2.9142	3.9019	2.2832		1.7657	2.4097	2.4097	3.0609	3.0609	3.9738	3.9738
H10	1.1001	3.9271	2.2055	2.2055	3.3619	3.3619	5.0129	3.7601	1.7657		2.7429	2.7429	2.4225	2.4225	4.2686	4.2686
H11	2.2052	3.0210	1.1022	3.3925	2.1975	3.3423	3.8777	2.9694	2.4097	2.7429		4.2064	3.9791	1.7769	2.7597	4.3230
H12	2.2052	3.0210	3.3925	1.1022	3.3423	2.1975	3.8777	2.9694	2.4097	2.7429	4.2064		1.7769	3.9791	4.3230	2.7597
H13	2.1862	3.4864	2.9312	1.1032	3.0247	2.1461	4.3512	3.8400	3.0609	2.4225	3.9791	1.7769		3.0134	3.7700	2.5060
H14	2.1862	3.4864	1.1032	2.9312	2.1461	3.0247	4.3512	3.8400	3.0609	2.4225	1.7769	3.9791	3.0134		2.5060	3.7700
H15	3.4258	2.2393	2.2532	3.3940	1.0928	2.2722	2.5167	3.1278	3.9738	4.2686	2.7597	4.3230	3.7700	2.5060		2.6323
H16	3.4258	2.2393	3.3940	2.2532	2.2722	1.0928	2.5167	3.1278	3.9738	4.2686	4.3230	2.7597	2.5060	3.7700	2.6323

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C3	C5	104.663	C1	C3	H11	112.123
C1	C3	H14	110.556	C1	C4	C6	104.663
C1	C4	H12	112.123	C1	C4	H13	110.556
C2	C5	C3	117.381	C2	C5	C6	59.931
C2	C5	H15	118.259	C2	C6	C4	117.381
C2	C6	C5	59.931	C2	C6	H16	118.259
C3	C1	C4	105.283	C3	C1	H9	110.199
C3	C1	H10	112.278	C3	C5	C6	108.047
C3	C5	H15	118.521	C4	C1	H9	110.199
C4	C1	H10	112.278	C4	C6	C5	108.047
C4	C6	H16	118.521	C5	C2	C6	60.138
C5	C2	H7	116.871	C5	C2	H8	119.430
C5	C3	H11	113.149	C5	C3	H14	108.988
C5	C6	H16	120.970	C6	C2	H7	116.871
C6	C2	H8	119.430	C6	C4	H12	113.149
C6	C4	H13	108.988	C6	C5	H15	120.970
H7	C2	H8	113.921	H9	C1	H10	106.653
H11	C3	H14	107.356	H12	C4	H13	107.356

Number	Element	Mulliken
1	C	-0.120
2	C	0.005
3	C	0.029
4	C	0.029
5	C	-0.116
6	C	-0.116
7	H	0.040
8	H	0.035
9	H	0.041
10	H	0.030
11	H	0.032
12	H	0.032
13	H	0.035
14	H	0.035
15	H	0.004
16	H	0.004

All results from a given calculation for C₆H₁₀ (Bicyclo[3.1.0]hexane)

using model chemistry: HSEh1PBE/cc-pVDZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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	x	y	z	Total
	0.172	0.076	0.000	0.189
CHELPG
AIM
ESP

	x	y	z
x	8.440	0.293	0.000
y	0.293	9.502	0.000
z	0.000	0.000	9.068

<r²>	141.409
(<r²>)^1/2	11.892

All results from a given calculation for C6H10 (Bicyclo[3.1.0]hexane)

using model chemistry: HSEh1PBE/cc-pVDZ

States and conformations

All results from a given calculation for C₆H₁₀ (Bicyclo[3.1.0]hexane)